alpha-(Trifluoromethyl)-3-nitrobenzyl Alcohol - CAS 453-77-0
Catalog: |
BB025848 |
Product Name: |
alpha-(Trifluoromethyl)-3-nitrobenzyl Alcohol |
CAS: |
453-77-0 |
Synonyms: |
2,2,2-trifluoro-1-(3-nitrophenyl)ethanol; 2,2,2-trifluoro-1-(3-nitrophenyl)ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-(3-nitrophenyl)ethanol |
Description: | alpha-(Trifluoromethyl)-3-nitrobenzyl Alcohol (CAS# 453-77-0 ) is a useful research chemical. |
Molecular Weight: | 221.13 |
Molecular Formula: | C8H6F3NO3 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C(C(F)(F)F)O |
InChI: | InChI=1S/C8H6F3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4,7,13H |
InChI Key: | BCYCXBDVLORUCU-UHFFFAOYSA-N |
MDL: | MFCD00615800 |
LogP: | 2.71370 |
Publication Number | Title | Priority Date |
JP-2018002698-A | Method for producing alcohol containing trifluoromethyl group | 20160628 |
JP-6763747-B2 | Method for Producing Trifluoromethyl Group-Containing Alcohols | 20160628 |
JP-2014091691-A | Process for producing trifluoromethyl group-containing compound | 20121102 |
JP-5991899-B2 | Process for producing trifluoromethyl group-containing compound | 20121102 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.02997754 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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